>compound Acetylcholine_Acetylcholine
#instrument UPLC Q-Tof Premier, Waters
>formula C7H16NO2
#smiles CC(=O)OCC[N+1](C)(C)C
#RECORD LC-ESI-QTOF_train_data/PR100098.txt;LC-ESI-QTOF_train_data/PR100099.txt
>charge 1
>ionization [M]+
>parentmass 146.11807

>collision 5-60
87.0457 351.2
145.9591 38.05
146.1181 3327.0

>collision 30
87.0442 20.17
146.0648 1.217
146.1181 18.29

